Figure 5
(a–d) Spin-resolved electron density of states (DOS) of BNNSs containing a CB, CN, VB, and VN defect, respectively. The shadow area represents the states of BNNSs. The dashed lines indicate the positions of Fermi level. (e) The imaginary part of dielectric function ε2 (ω) which represents the light adsorption property calculated for pristine BNNSs and the C-doped BNNSs (B4C4N9) shown in the inset of this figure. (f) The isosurfaces of the spin-polarized electron density ∆ρ calculated from the difference between the electron densities of two spin channels: ∆ρ = ρ↑ − ρ↓. (g) The spin-resolved DOS of the B4C4N9 nanosheet. The energy at the Fermi level was set to zero.
